REMARK  Name = BDB047812
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.941  -1.998   0.332  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1       -0.391  -2.223   0.630  0.00  0.00    -0.310 N 
ATOM      3  C   LIG    1       -0.645  -3.570   0.524  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        0.590  -4.112   0.180  0.00  0.00    +0.091 A 
ATOM      5  C   LIG    1        0.710  -5.497  -0.006  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1       -0.424  -6.300   0.159  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -1.654  -5.736   0.501  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.793  -4.356   0.691  0.00  0.00    +0.028 A 
ATOM      9  N   LIG    1        1.542  -3.134   0.070  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  12
ATOM     10  O   LIG    1        3.720  -1.350  -0.018  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        2.830  -0.515   0.088  0.00  0.00    +0.250 C 
ATOM     12  N   LIG    1        1.484  -0.729   0.306  0.00  0.00    -0.252 N 
ATOM     13  H   LIG    1        0.875   0.056   0.489  0.00  0.00    +0.158 HD
BRANCH  11  14
ATOM     14  C   LIG    1        3.232   0.920   0.021  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        2.416   1.890  -0.575  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1        2.864   3.219  -0.630  0.00  0.00    +0.127 A 
ATOM     17  C   LIG    1        4.109   3.584  -0.096  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1        4.919   2.608   0.485  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        4.485   1.282   0.538  0.00  0.00    +0.013 A 
BRANCH  16  20
ATOM     20  N   LIG    1        2.020   4.241  -1.264  0.00  0.00    +0.056 N 
ATOM     21  O   LIG    1        0.903   3.891  -1.676  0.00  0.00    -0.126 OA
ATOM     22  O   LIG    1        2.469   5.393  -1.345  0.00  0.00    -0.126 OA
ENDBRANCH  16  20
ENDBRANCH  11  14
ENDBRANCH   1  12
BRANCH   2  23
ATOM     23  C   LIG    1       -1.348  -1.204   1.016  0.00  0.00    +0.140 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -1.822  -0.365  -0.183  0.00  0.00    +0.106 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -1.710   1.085   0.074  0.00  0.00    -0.296 NA
ATOM     26  C   LIG    1       -2.668   1.568   1.103  0.00  0.00    +0.112 C 
ATOM     27  C   LIG    1       -3.913   2.259   0.522  0.00  0.00    +0.175 C 
ATOM     28  O   LIG    1       -3.594   3.402  -0.279  0.00  0.00    -0.377 OA
ATOM     29  C   LIG    1       -2.318   3.299  -0.932  0.00  0.00    +0.175 C 
ATOM     30  C   LIG    1       -1.907   1.841  -1.192  0.00  0.00    +0.112 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   2  23
TORSDOF 6